SCHEMBL1359552

SCHEMBL1359552

O=C(O)Cc1cnn(-c2cccnc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.57
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
RAB9A P51151 2/20 0.50
ERCC5 P28715 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
NR4A1 P22736 1/20 0.50
MPI P34949 1/20 0.50
RECQL P46063 1/20 0.50
ESR2 Q92731 1/20 0.50
FFAR4 Q5NUL3 2/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31517605 1.00 NAPRT (0.57) NAPRTMAPTKDM4EALDH1A1LMNA
Biphenyl SCHEMBL27934333 0.95 NAPRT (0.51) NAPRTMAPTKDM4EALDH1A1LMNA
SCHEMBL31517401 0.87 ERCC5 (0.47) NAPRTMAPTKDM4EALDH1A1LMNA
SCHEMBL3814933 0.86 RAB9A (0.63) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL31517664 0.83 RAB9A (0.46) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL31517715 0.83 MAPT (0.50) NAPRTMAPTKDM4EALDH1A1LMNA
SCHEMBL12369718 0.78 CYP2A6 (0.49) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL20864231 0.78 CYP2A6 (0.49) ERCC5CYP2A6MTORDRD2DRD4
SCHEMBL28195223 0.78 CYP2A6 (0.49) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL31517290 0.78 MAPT (0.49) MAPTKDM4EALDH1A1LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106213-B1 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOL-4-YL-ACETIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDE AND PLANT GROWTH REGULATORS BAYER IP GMBH (DE) 2015-02-11 EP disclosed
CN-101583276-B Substituted 1- (3-pyridyl) -pyrazol-4-yl acetic acids, method for the production thereof, and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE AG 2013-08-28 CN disclosed
US-8252723-B2 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-08-28 US disclosed
US-8067611-B2 Substituted 1-(thiazolyl)-and 1-(isothiazolyl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-11-29 US disclosed
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2011-10-20 US disclosed
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2010-08-05 US disclosed
CN-101583276-A Substituted 1- (3-pyridyl) -pyrazol-4-yl acetic acids, method for the production thereof, and use thereof as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2009-11-18 CN disclosed
EP-2106213-A2 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOLE-4-YL ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2009-10-07 EP disclosed
US-20090036310-A1 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic Acids, Processes for Their Preparation and Their Use as Herbicides and Plant Growth Regulators BAYER CORPSCIENCE GMBH (DE) 2009-02-05 US disclosed
WO-2008080504-A3 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOLE-4-YL ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2008-12-04 WO disclosed
WO-2008080504-A2 SUBSTITUTED 1-(3-PYRIDINYL)PYRAZOLE-4-YL ACETIC ACIDS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2008-07-10 WO disclosed
EP-1938686-A1 Substituted 1-(3-pyridinyl)pyrazol-4-yl-acetic acids, process for their preparation and their use as herbicide and plant growth regulator. Bayer CropScience AG (DE) 2008-07-02 EP disclosed
EP-1938686-A1 Substituted 1-(3-pyridinyl)pyrazol-4-yl-acetic acids, process for their preparation and their use as herbicide and plant growth regulator. Bayer CropScience AG (DE) 2008-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090036310-A1 Substituted 1-(3-pyridinyl)pyrazol-4-ylacetic Acids, Processes for Their Preparation and Their Use as Herbicides and Plant Growth Regulators DDT, DDC, HPD NAPRT 1931/4885MAPT 4484/4885KDM4E 224/4885
US-20100197501-A1 SUBSTITUTED 1-(THIAZOLYL)-AND 1-(ISOTHIAZOLYL)PYRAZOL-4-YLACETIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS THRA, TSHR, DDT NAPRT 2564/4885MAPT 4674/4885KDM4E 2158/4885
US-20110257014-A1 1-(Heteroaryl)pyrazol-4-ylacetic acids, processes for their preparation and their use as herbicides and plant growth regulators DDT, HPD, DDC NAPRT 2358/4885MAPT 4198/4885KDM4E 997/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.